SCHEMBL9348129

SCHEMBL9348129

CC(=O)O[C@]1(C#N)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.62
SHBG P04278 4/20 0.62
NR3C1 P04150 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
CYP2C19 P33261 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SERPINA6 P08185 3/20 0.62
BLM P54132 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
MAPT P10636 2/20 0.62
SLC6A3 Q01959 2/20 0.62
MAPK3 P27361 1/20 0.62
PGR P06401 3/20 0.61
ALDH1A1 P00352 1/20 0.61
ADRA1A P35348 1/20 0.61
HTR2B P41595 1/20 0.61
CYP17A1 P05093 3/20 0.60
HIF1A Q16665 4/20 0.59
TSHR P16473 3/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9348134 1.00 LMNA (0.62) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL9348215 1.00 LMNA (0.62) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL11117577 0.90 NR3C1 (0.67) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL11117579 0.90 NR3C1 (0.67) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL10938509 0.90 NR3C1 (0.67) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL24476232 0.88 SHBG (0.64) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL24476209 0.88 SHBG (0.64) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL10820974 0.88 LMNA (0.60) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL10820973 0.88 LMNA (0.60) LMNASHBGNR3C1SMN1; SMN2CYP2C19
SCHEMBL10821129 0.88 LMNA (0.60) LMNASHBGNR3C1SMN1; SMN2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375349-B1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
EP-0375351-B1 Phosphonic acid substituted steroids as steroid 5alpha-reductase inhibitors SMITHKLINE BEECHAM CORP (US) 1994-08-31 EP disclosed
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP disclosed
US-5026882-A Phosphinic acid substituted steroids as inhibitors of steroid 5α-reductase SMITHKLINE BEECHAM CORPORATION (US) 1991-06-25 US disclosed
US-5017568-A Enzyme inhibitors, carboxylation SMITHKLINE BEECHAM CORPORATION (US) 1991-05-21 US disclosed
US-4946834-A ACRYLATE ANALOGUES OF STEROIDAL SYNTHETIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1990-08-07 US disclosed
EP-0375351-A1 Phosphonic acid substituted steroids as steroid 5alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
EP-0375349-A1 Phosphinic acid substituted steroids as inhibitors of steroid 5alpha-reductase SMITHKLINE BEECHAM CORPORATION (US) 1990-06-27 EP disclosed
US-4910226-A Estrane compound SMITHKLINE BECKMAN CORPORATION (US) 1990-03-20 US disclosed
EP-0289327-A2 Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed